General Information of the Compound
| Compound ID |
CP0393090
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| Compound Name |
2-(2-chloro-4-methoxyphenyl)-3-(2-hydroxyethyl)-7-methyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C21H26ClN3O3
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| Molecular Weight |
403.91
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12
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| InChI |
InChI=1S/C21H26ClN3O3/c1-5-14(6-2)17-11-13(3)25-19(17)21(27)24(9-10-26)20(23-25)16-8-7-15(28-4)12-18(16)22/h7-8,11-12,14,26H,5-6,9-10H2,1-4H3
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| InChIKey |
RHSHNLWTFYKAAL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound